2-[3-(trifluoromethyl)phenyl]-2,3-dihydrochromen-4-one

C16H11F3O2 — CID 114671510

IUPAC2-[3-(trifluoromethyl)phenyl]-2,3-dihydrochromen-4-one
SMILESO=C1CC(c2cccc(C(F)(F)F)c2)Oc2ccccc21
InChIInChI=1S/C16H11F3O2/c17-16(18,19)11-5-3-4-10(8-11)15-9-13(20)12-6-1-2-7-14(12)21-15/h1-8,15H,9H2
InChIKeyFTDRQAVHCWDJPV-UHFFFAOYSA-N
MW292.26 g/mol
LogP4.41
Rot. Bonds1

About 2-[3-(trifluoromethyl)phenyl]-2,3-dihydrochromen-4-one

2-[3-(trifluoromethyl)phenyl]-2,3-dihydrochromen-4-one (PubChem CID 114671510) has the molecular formula C16H11F3O2 and a molecular weight of 292.26 g/mol. Its IUPAC name is 2-[3-(trifluoromethyl)phenyl]-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name2-[3-(trifluoromethyl)phenyl]-2,3-dihydrochromen-4-one
PubChem CID114671510
Molecular FormulaC16H11F3O2
Molecular Weight292.26 g/mol
Exact Mass292.07
IUPAC Name2-[3-(trifluoromethyl)phenyl]-2,3-dihydrochromen-4-one
SMILESO=C1CC(c2cccc(C(F)(F)F)c2)Oc2ccccc21
InChIInChI=1S/C16H11F3O2/c17-16(18,19)11-5-3-4-10(8-11)15-9-13(20)12-6-1-2-7-14(12)21-15/h1-8,15H,9H2
InChIKeyFTDRQAVHCWDJPV-UHFFFAOYSA-N
XLogP4.41
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.26
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(3-fluorophenyl)-2,3-dihydrochromen-4-one
CID 70363390
[3-(4-oxo-2,3-dihydrochromen-2-yl)phenyl]boronic acid
CID 71504747
2-(3-nitrophenyl)-2,3-dihydrochromen-4-one
CID 10084425
2-(4-methylphenyl)-2,3-dihydrochromen-4-one
CID 2802466
2-(3-bromo-4-chlorophenyl)-2,3-dihydrochromen-4-one
CID 114671437
4-[3-(trifluoromethyl)phenyl]-1,3-dioxolan-2-one
CID 102125689
(2R)-2-[4-(dimethylamino)phenyl]-2,3-dihydrochromen-4-one
CID 70503591
[4-(4-oxo-2,3-dihydrochromen-2-yl)phenyl] thiohypochlorite
CID 21276850
(5S)-5-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
CID 97000628
4-[(2R)-4-oxo-2,3-dihydrochromen-2-yl]benzonitrile
CID 25136970
2-(3-pyridin-2-yloxyphenyl)-2,3-dihydrochromen-4-one
CID 142675803
(2S)-7-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one;2-phenyl-2,3-dihydrochromen-4-one
CID 68519073

Frequently Asked Questions

What is the IUPAC name of 2-[3-(trifluoromethyl)phenyl]-2,3-dihydrochromen-4-one?
The IUPAC name of 2-[3-(trifluoromethyl)phenyl]-2,3-dihydrochromen-4-one (CID 114671510) is 2-[3-(trifluoromethyl)phenyl]-2,3-dihydrochromen-4-one.
What is the SMILES notation for 2-[3-(trifluoromethyl)phenyl]-2,3-dihydrochromen-4-one?
The canonical SMILES for 2-[3-(trifluoromethyl)phenyl]-2,3-dihydrochromen-4-one is O=C1CC(c2cccc(C(F)(F)F)c2)Oc2ccccc21.
What is the InChIKey of 2-[3-(trifluoromethyl)phenyl]-2,3-dihydrochromen-4-one?
The InChIKey is FTDRQAVHCWDJPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3O2/c17-16(18,19)11-5-3-4-10(8-11)15-9-13(20)12-6-1-2-7-14(12)21-15/h1-8,15H,9H2.
What are the key properties of 2-[3-(trifluoromethyl)phenyl]-2,3-dihydrochromen-4-one?
2-[3-(trifluoromethyl)phenyl]-2,3-dihydrochromen-4-one has a molecular weight of 292.26 g/mol, XLogP of 4.41, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(trifluoromethyl)phenyl]-2,3-dihydrochromen-4-one is sourced from PubChem (CID 114671510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).